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About This Item
Linear Formula:
CH3CH2CH2CH(OH)CH3
CAS Number:
Molecular Weight:
88.15
PubChem Substance ID:
UNSPSC Code:
12352001
Beilstein/REAXYS Number:
1718820
MDL number:
Assay:
≥97.5% (GC), 98%
Form:
liquid
SMILES string
CCC[C@H](C)O
InChI
1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChI key
JYVLIDXNZAXMDK-YFKPBYRVSA-N
vapor density
3 (vs air)
assay
≥97.5% (GC), 98%
form
liquid
optical purity
enantiomeric excess: ≥97.5%
autoignition temp.
657 °F
expl. lim.
9 %
refractive index
n20/D 1.406 (lit.)
bp
118-119 °C (lit.)
density
0.81 g/mL at 25 °C (lit.)
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Legal Information
ChiPros is a registered trademark of BASF SE
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Flam. Liq. 3 - STOT SE 3
target_organs
Respiratory system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
93.2 °F - closed cup
flash_point_c
34 °C - closed cup
Regulatory Information
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Xiao-Hong Chen et al.
PloS one, 9(4), e94543-e94543 (2014-04-18)
A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5-fold with an overall yield of 0.4% by purification. The enzyme showed a homotetrameric
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